Geometry & MOs

Info

ID:	406388
PubChem CID:	135077406
Reduced:	O5C16H28 (1)
Stoich.:	A5B16C28 (1)
Weight, g/mol:	296.198759
ΔH_f, kcal/mol:	-232.48
Dipole, Da:	1.79
IP(EA), eV:	-9.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\[C@@H](C1CCCCC1)OCOCCOC

DOS

IR

Vibrations